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<p>In the present study, Zn-doped Co<sub>3</sub>O<sub>4</sub> nanoparticles were synthesized through an environmentally friendly green route using <i>Catharanthus roseus</i> leaves extract. The leaf extract served as both a bio-reducing and stabilizing agent, eliminating the need for toxic chemicals and harsh reaction conditions. The phytochemical constituents facilitated the controlled formation of nanoscale particles. The synthesized nanoparticles were thoroughly characterized using XRD, SEM, EDS, IR spectroscopy and BET surface area analysis to evaluate their structural, morphological, compositional, surface and textural properties. Their catalytic performance was investigated in the synthesis of benzimidazole derivatives through the condensation of <i>o</i>-phenylenediamine with various aldehydes under mild reaction conditions. The catalyst exhibited excellent activity, affording high yields (90–97%) within short reaction times (20–30&#xa0;min.). It also demonstrated good stability and was easily recovered and reused. The antimicrobial activity of the synthesized compounds was evaluated against <i>Staphylococcus aureus</i>, <i>Bacillus subtilis</i>, <i>Pseudomonas aeruginosa</i> and <i>Escherichia coli</i>, showing significant inhibitory activity. Furthermore, in silico molecular docking studies demonstrated favorable predicted binding interactions of the synthesized compounds with DNA gyrase B, suggesting their potential to interact with this antibacterial target. ADMET analysis indicated acceptable drug-likeness and favorable predicted pharmacokinetic properties, including blood–brain barrier permeability with low predicted nephrotoxicity and hepatotoxicity within the applied computational models.</p> Graphical abstract

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Eco-friendly Zn-doped Co3O4 nanocatalyst for benzimidazole synthesis: characterization, reusability, antimicrobial activity and molecular docking studies

  • 期刊论文

  • 发表日期：

    2026年7月31日

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  • Prakash Kokare,
  • Ashwini More,
  • Vishvanath Ghanwat,
  • Amol Jadhav,
  • Avdhut Kadam,
  • Pritam Ghadge,
  • Dipak Mali,
  • Bipin Shinde,
  • Santosh Kamble

摘要

In the present study, Zn-doped Co3O4 nanoparticles were synthesized through an environmentally friendly green route using Catharanthus roseus leaves extract. The leaf extract served as both a bio-reducing and stabilizing agent, eliminating the need for toxic chemicals and harsh reaction conditions. The phytochemical constituents facilitated the controlled formation of nanoscale particles. The synthesized nanoparticles were thoroughly characterized using XRD, SEM, EDS, IR spectroscopy and BET surface area analysis to evaluate their structural, morphological, compositional, surface and textural properties. Their catalytic performance was investigated in the synthesis of benzimidazole derivatives through the condensation of o-phenylenediamine with various aldehydes under mild reaction conditions. The catalyst exhibited excellent activity, affording high yields (90–97%) within short reaction times (20–30 min.). It also demonstrated good stability and was easily recovered and reused. The antimicrobial activity of the synthesized compounds was evaluated against Staphylococcus aureus, Bacillus subtilis, Pseudomonas aeruginosa and Escherichia coli, showing significant inhibitory activity. Furthermore, in silico molecular docking studies demonstrated favorable predicted binding interactions of the synthesized compounds with DNA gyrase B, suggesting their potential to interact with this antibacterial target. ADMET analysis indicated acceptable drug-likeness and favorable predicted pharmacokinetic properties, including blood–brain barrier permeability with low predicted nephrotoxicity and hepatotoxicity within the applied computational models.

Graphical abstract